4-[(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Methyl]Phenol

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Formula C18H14N4O
IUPAC Name 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Molecular Mass 302.330 g·mol−1
Heat of Formation 419.9 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 356.9 Å 3
Surface Area 318.5 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
InChIKey ZGJYGQLGSXWEMY-UHFFFAOYSA-N
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